Dynamic mean field theory for mesoscale polymer simulations

Takashi Honda, Shinji Urashita, Hiroshi Morita, Ryuichi Hasegawa, Toshihiro Kawakatsu, Masao Doi

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The dynamic mean field theory is applied to various problems on polymer dynamics. (1) Domain structures in various phase separating polymer systems such as (a) A, B polymer blends, (b) A, B polymer blends with A-B block copolymers, and (c) A-B block copolymers with comb-structure are calculated. (2) Realistic simulations for a PE/PP/ PS polymer blend are performed, where the segment interaction parameters determined by the method of the additive group contributions are used. The core shell structures observed experimentally are reproduced. (3) Polymer films consisting of insoluble polymers on solid wall are simulated. (4) Behavior of polydisperse polymers near a hard wall is studied. (5) Micellization of diblock copolymers and grafted polymers in solvent is simulated using a new method combining the mean field theory and the Rouse dynamics. Finally, further extension of the dynamic mean field calculations is discussed.

Original languageEnglish
Pages (from-to)762-771
Number of pages10
JournalKOBUNSHI RONBUNSHU
Volume56
Issue number12
DOIs
Publication statusPublished - 1999

Keywords

  • Mean Field Theory
  • Mesoscale Simulation
  • Micellization
  • Phase Separation
  • Polydispersity
  • Polymer Blend
  • Polymer Film
  • Rouse Dynamics
  • Surfactant

ASJC Scopus subject areas

  • Chemical Engineering (miscellaneous)
  • Materials Science (miscellaneous)
  • Environmental Science(all)
  • Polymers and Plastics

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  • Cite this

    Honda, T., Urashita, S., Morita, H., Hasegawa, R., Kawakatsu, T., & Doi, M. (1999). Dynamic mean field theory for mesoscale polymer simulations. KOBUNSHI RONBUNSHU, 56(12), 762-771. https://doi.org/10.1295/koron.56.762